(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone

C15H28N2O — CID 63217718

IUPAC(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCC2(C)C)CCCNC1
InChIInChI=1S/C15H28N2O/c1-4-7-15(9-5-10-16-12-15)13(18)17-11-6-8-14(17,2)3/h16H,4-12H2,1-3H3
InChIKeyUGBRJKSWKDIVRO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone

(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 63217718) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID63217718
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCCC2(C)C)CCCNC1
InChIInChI=1S/C15H28N2O/c1-4-7-15(9-5-10-16-12-15)13(18)17-11-6-8-14(17,2)3/h16H,4-12H2,1-3H3
InChIKeyUGBRJKSWKDIVRO-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
3,3-dimethyl-4-(3-propylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66073855
(3-propylpiperidin-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743759
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
1-(3-methylpiperidine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63137762
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
8-oxa-3-azabicyclo[3.2.1]octan-3-yl-(3-propylpiperidin-3-yl)methanone
CID 66369459

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone (CID 63217718) is (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CCCC2(C)C)CCCNC1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is UGBRJKSWKDIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-7-15(9-5-10-16-12-15)13(18)17-11-6-8-14(17,2)3/h16H,4-12H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone?
(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 63217718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).